SODIUM BIS[3-[[4,5-DIHYDRO-3-METHYL-5-OXO-1-(P-TOLYL)-1H-PYRAZOL-4-YL]AZO]-4-HYDROXY-N-METHYLBENZENESULPHONAMIDATO(2-)]COBALTATE(1-)

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key FWBZTDGAAUEBKN-UHFFFAOYSA-N
Smiles [Na+].[Co+3].CN[S](=O)(=O)c1ccc([O-])c(c1)N=Nc2c(C)nn(c2[O-])c3ccc(C)cc3.CN[S](=O)(=O)c4ccc([O-])c(c4)N=Nc5c(C)nn(c5[O-])c6ccc(C)cc6
InChI
InChI=1S/C18H19N5O4S/c1-11-4-6-13(7-5-11)23-18(25)17(12(2)22-23)21-20-15-10-14(8-9-16(15)24)28(26,27)19-3/h4-10,19,24-25H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19N5O4S1
Molecular Weight 401.12
AlogP 3.22
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 129.17
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 70281-40-2
NORMAN SUSDAT
CONTENTS